This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Explore a selection of our essential drug information below, or:
Identification
- Generic Name
- Lucerastat
- DrugBank Accession Number
- DB14872
- Background
Lucerastat is under investigation in clinical trial NCT03425539 (Efficacy and Safety of Lucerastat Oral Monotherapy in Adult Subjects With Fabry Disease).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for Lucerastat (DB14872)
- Weight
- Average: 219.281
Monoisotopic: 219.14705816 - Chemical Formula
- C10H21NO4
- Synonyms
- Lucerastat
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API- Pharmacodynamics
Not Available
- Mechanism of action
- Not Available
- Absorption
Not Available
- Volume of distribution
Not Available
- Protein binding
Not Available
- Metabolism
- Not Available
- Route of elimination
Not Available
- Half-life
Not Available
- Clearance
Not Available
- Adverse Effects
Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.- Toxicity
Not Available
- Pathways
- Not Available
- Pharmacogenomic Effects/ADRs
- Not Available
Interactions
- Drug Interactions
- This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.Not Available
- Food Interactions
- Not Available
Categories
- Drug Categories
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- GVS3YDM418
- CAS number
- 141206-42-0
- InChI Key
- UQRORFVVSGFNRO-XFWSIPNHSA-N
- InChI
- InChI=1S/C10H21NO4/c1-2-3-4-11-5-8(13)10(15)9(14)7(11)6-12/h7-10,12-15H,2-6H2,1H3/t7-,8+,9+,10-/m1/s1
- IUPAC Name
- (2R,3S,4R,5S)-1-butyl-2-(hydroxymethyl)piperidine-3,4,5-triol
- SMILES
- CCCCN1C[C@H](O)[C@@H](O)[C@@H](O)[C@H]1CO
References
- General References
- Not Available
- External Links
- ChemSpider
- 438653
- BindingDB
- 50312528
- ChEMBL
- CHEMBL1086997
- ZINC
- ZINC000013719785
Clinical Trials
- Clinical Trials
Clinical Trial & Rare Diseases Add-on Data Package
Explore 4,000+ rare diseases, orphan drugs & condition pairs, clinical trial why stopped data, & more. Preview package Phase Status Purpose Conditions Count Start Date Why Stopped 100+ additional columns Unlock 175K+ rows when you subscribe.View sample data3 Active Not Recruiting Treatment Fabry's Disease 1 somestatus stop reason just information to hide 3 Completed Treatment Fabry's Disease 1 somestatus stop reason just information to hide 1 Completed Not Available Healthy Volunteers (HV) 2 somestatus stop reason just information to hide 1 Completed Other Healthy Volunteers (HV) 2 somestatus stop reason just information to hide 1 Completed Treatment Fabry's Disease 1 somestatus stop reason just information to hide
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Not Available
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 331.0 mg/mL ALOGPS logP -1.1 ALOGPS logP -1.2 Chemaxon logS 0.18 ALOGPS pKa (Strongest Acidic) 12.9 Chemaxon pKa (Strongest Basic) 8.49 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 4 Chemaxon Polar Surface Area 84.16 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 55.74 m3·mol-1 Chemaxon Polarizability 23.66 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-00di-0090000000-67d12d358455133ef139 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-014i-0290000000-1d6fe2d816b7f9a0957f Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0fk9-2970000000-817317f8d1c96e109b30 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-014i-0690000000-7acbe1d54f954f471843 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0ab9-7900000000-b694ad05a2103ca16c1c Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-059x-9200000000-b9e57aa074ce0504de0a Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 157.0037872 predictedDarkChem Lite v0.1.0 [M+H]+ 156.7779872 predictedDarkChem Lite v0.1.0 [M+Na]+ 156.6687872 predictedDarkChem Lite v0.1.0
Drug created at May 20, 2019 14:32 / Updated at February 21, 2021 18:54